Carbonyl compounds
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1-Amino-4-hydroxyanthraquinone 98.0+%, TCI America™
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CAS: 116-85-8 Molecular Formula: C14H9NO3 Molecular Weight (g/mol): 239.23 MDL Number: MFCD00001223 InChI Key: AQXYVFBSOOBBQV-UHFFFAOYSA-N Synonym: 1-amino-4-hydroxyanthraquinone,disperse red 15,calcosyn pink b,celutate pink b,nacelan pink b,amacel pink b,celutate pink bn,celutate pink by,cibacete red 3b,disperse red 2s PubChem CID: 8323 IUPAC Name: 1-amino-4-hydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)N
| PubChem CID | 8323 |
|---|---|
| CAS | 116-85-8 |
| Molecular Weight (g/mol) | 239.23 |
| MDL Number | MFCD00001223 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)N |
| Synonym | 1-amino-4-hydroxyanthraquinone,disperse red 15,calcosyn pink b,celutate pink b,nacelan pink b,amacel pink b,celutate pink bn,celutate pink by,cibacete red 3b,disperse red 2s |
| IUPAC Name | 1-amino-4-hydroxyanthracene-9,10-dione |
| InChI Key | AQXYVFBSOOBBQV-UHFFFAOYSA-N |
| Molecular Formula | C14H9NO3 |
n-Octanal 98.0+%, TCI America™
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CAS: 124-13-0 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00007029 InChI Key: NUJGJRNETVAIRJ-UHFFFAOYSA-N Synonym: caprylic aldehyde,caprylaldehyde,n-octanal,1-octanal,n-octyl aldehyde,n-octaldehyde,n-caprylaldehyde,octanaldehyde,aldehyde c-8,n-octylal PubChem CID: 454 ChEBI: CHEBI:17935 IUPAC Name: octanal SMILES: CCCCCCCC=O
| PubChem CID | 454 |
|---|---|
| CAS | 124-13-0 |
| Molecular Weight (g/mol) | 128.22 |
| ChEBI | CHEBI:17935 |
| MDL Number | MFCD00007029 |
| SMILES | CCCCCCCC=O |
| Synonym | caprylic aldehyde,caprylaldehyde,n-octanal,1-octanal,n-octyl aldehyde,n-octaldehyde,n-caprylaldehyde,octanaldehyde,aldehyde c-8,n-octylal |
| IUPAC Name | octanal |
| InChI Key | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
Pipamperone 98.0+%, TCI America™
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CAS: 1893-33-0 Molecular Formula: C21H30FN3O2 Molecular Weight (g/mol): 375.488 MDL Number: MFCD00242979 InChI Key: AXKPFOAXAHJUAG-UHFFFAOYSA-N Synonym: Floropipamide, 1′-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4′-bipiperidine]-4′-carboxamide PubChem CID: 4830 ChEBI: CHEBI:78549 IUPAC Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide SMILES: C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N
| PubChem CID | 4830 |
|---|---|
| CAS | 1893-33-0 |
| Molecular Weight (g/mol) | 375.488 |
| ChEBI | CHEBI:78549 |
| MDL Number | MFCD00242979 |
| SMILES | C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N |
| Synonym | Floropipamide, 1′-[4-(4-Fluorophenyl)-4-oxobutyl]-[1,4′-bipiperidine]-4′-carboxamide |
| IUPAC Name | 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide |
| InChI Key | AXKPFOAXAHJUAG-UHFFFAOYSA-N |
| Molecular Formula | C21H30FN3O2 |
6-Methoxy-2-pyridinecarboxaldehyde 97.0+%, TCI America™
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CAS: 54221-96-4 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD05664030 InChI Key: YDNWTNODZDSPNZ-UHFFFAOYSA-N Synonym: 6-methoxypicolinaldehyde,6-methoxy-2-pyridinecarboxaldehyde,2-methoxy-6-pyridinecarboxaldehyde,2-formyl-6-methoxypyridine,6-methoxy-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-methoxy,6-methoxypyridine-2-carboxaldehyde,pubchem15345,acmc-1aulb,ksc490s1l PubChem CID: 12325392 IUPAC Name: 6-methoxypyridine-2-carbaldehyde SMILES: COC1=CC=CC(=N1)C=O
| PubChem CID | 12325392 |
|---|---|
| CAS | 54221-96-4 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD05664030 |
| SMILES | COC1=CC=CC(=N1)C=O |
| Synonym | 6-methoxypicolinaldehyde,6-methoxy-2-pyridinecarboxaldehyde,2-methoxy-6-pyridinecarboxaldehyde,2-formyl-6-methoxypyridine,6-methoxy-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-methoxy,6-methoxypyridine-2-carboxaldehyde,pubchem15345,acmc-1aulb,ksc490s1l |
| IUPAC Name | 6-methoxypyridine-2-carbaldehyde |
| InChI Key | YDNWTNODZDSPNZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Methyl 4-Acetylbenzoate 98.0+%, TCI America™
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CAS: 3609-53-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.187 MDL Number: MFCD00216474 InChI Key: QNTSFZXGLAHYLC-UHFFFAOYSA-N Synonym: benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b PubChem CID: 137990 IUPAC Name: methyl 4-acetylbenzoate SMILES: CC(=O)C1=CC=C(C=C1)C(=O)OC
| PubChem CID | 137990 |
|---|---|
| CAS | 3609-53-8 |
| Molecular Weight (g/mol) | 178.187 |
| MDL Number | MFCD00216474 |
| SMILES | CC(=O)C1=CC=C(C=C1)C(=O)OC |
| Synonym | benzoic acid, 4-acetyl-, methyl ester,unii-3s3d53j4nt,4-acetylbenzoic acid methyl ester,methyl4-acetylbenzoate,4-acetyl-benzoic acid methyl ester,methyl 4-acetyl benzoate,pubchem22273,acmc-209ikx,#,ksc497k9b |
| IUPAC Name | methyl 4-acetylbenzoate |
| InChI Key | QNTSFZXGLAHYLC-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
4-Acetylphenyl Trifluoromethanesulfonate 98.0+%, TCI America™
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CAS: 109613-00-5 Molecular Formula: C9H7F3O4S Molecular Weight (g/mol): 268.206 MDL Number: MFCD00191706 InChI Key: RUMMIUOXQGFCEP-UHFFFAOYSA-N Synonym: 4-Acetylphenyl Triflate, Trifluoromethanesulfonic Acid 4-Acetylphenyl Ester PubChem CID: 2769355 IUPAC Name: (4-acetylphenyl) trifluoromethanesulfonate SMILES: CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F
| PubChem CID | 2769355 |
|---|---|
| CAS | 109613-00-5 |
| Molecular Weight (g/mol) | 268.206 |
| MDL Number | MFCD00191706 |
| SMILES | CC(=O)C1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F |
| Synonym | 4-Acetylphenyl Triflate, Trifluoromethanesulfonic Acid 4-Acetylphenyl Ester |
| IUPAC Name | (4-acetylphenyl) trifluoromethanesulfonate |
| InChI Key | RUMMIUOXQGFCEP-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O4S |
4'-Dimethylaminoacetophenone 98.0+%, TCI America™
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CAS: 2124-31-4 Molecular Formula: C10H13NO Molecular Weight (g/mol): 163.22 MDL Number: MFCD00017246 InChI Key: HUDYANRNMZDQGA-UHFFFAOYSA-N PubChem CID: 75037 IUPAC Name: 1-[4-(dimethylamino)phenyl]ethan-1-one SMILES: CN(C)C1=CC=C(C=C1)C(C)=O
| PubChem CID | 75037 |
|---|---|
| CAS | 2124-31-4 |
| Molecular Weight (g/mol) | 163.22 |
| MDL Number | MFCD00017246 |
| SMILES | CN(C)C1=CC=C(C=C1)C(C)=O |
| IUPAC Name | 1-[4-(dimethylamino)phenyl]ethan-1-one |
| InChI Key | HUDYANRNMZDQGA-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO |
3,6-Dimethyl-4-octyne-3,6-diol 98.0+%, TCI America™
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CAS: 78-66-0 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00004480 InChI Key: NUYADIDKTLPDGG-UHFFFAOYSA-N Synonym: 3,6-Dihydroxy-3,6-dimethyl-4-octyne PubChem CID: 6546 IUPAC Name: 3,6-dimethyloct-4-yne-3,6-diol SMILES: CCC(C)(C#CC(C)(CC)O)O
| PubChem CID | 6546 |
|---|---|
| CAS | 78-66-0 |
| Molecular Weight (g/mol) | 170.252 |
| MDL Number | MFCD00004480 |
| SMILES | CCC(C)(C#CC(C)(CC)O)O |
| Synonym | 3,6-Dihydroxy-3,6-dimethyl-4-octyne |
| IUPAC Name | 3,6-dimethyloct-4-yne-3,6-diol |
| InChI Key | NUYADIDKTLPDGG-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |
Diethyl Allylmalonate 98.0+%, TCI America™
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CAS: 2049-80-1 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 MDL Number: MFCD00009155 InChI Key: GDWAYKGILJJNBB-UHFFFAOYSA-N Synonym: diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid PubChem CID: 74900 IUPAC Name: diethyl 2-prop-2-enylpropanedioate SMILES: CCOC(=O)C(CC=C)C(=O)OCC
| PubChem CID | 74900 |
|---|---|
| CAS | 2049-80-1 |
| Molecular Weight (g/mol) | 200.234 |
| MDL Number | MFCD00009155 |
| SMILES | CCOC(=O)C(CC=C)C(=O)OCC |
| Synonym | diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid |
| IUPAC Name | diethyl 2-prop-2-enylpropanedioate |
| InChI Key | GDWAYKGILJJNBB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O4 |
4'-Hydroxybutyrophenone 98.0+%, TCI America™
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CAS: 1009-11-6 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00020173 InChI Key: GFBLPULLSAPXDC-UHFFFAOYSA-N Synonym: 4-Hydroxyphenyl Propyl Ketone PubChem CID: 66092 IUPAC Name: 1-(4-hydroxyphenyl)butan-1-one SMILES: CCCC(=O)C1=CC=C(O)C=C1
| PubChem CID | 66092 |
|---|---|
| CAS | 1009-11-6 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00020173 |
| SMILES | CCCC(=O)C1=CC=C(O)C=C1 |
| Synonym | 4-Hydroxyphenyl Propyl Ketone |
| IUPAC Name | 1-(4-hydroxyphenyl)butan-1-one |
| InChI Key | GFBLPULLSAPXDC-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
1-Phenylisatin 98.0+%, TCI America™
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CAS: 723-89-7 Molecular Formula: C14H9NO2 Molecular Weight (g/mol): 223.231 MDL Number: MFCD00082681 InChI Key: UWCPWBIMRYXUOU-UHFFFAOYSA-N Synonym: 1-phenylisatin,1-phenylindoline-2,3-dione,1-phenyl-1h-indole-2,3-dione,1h-indole-2,3-dione, 1-phenyl,1-phenyl-indole-2,3-dione,indole-2,3-dione, 1-phenyl,1h-indole-2,3-dione, 1-phenyl-9ci,1-phenyl-2,3-dihydro-1h-indole-2,3-dione,phenylisatin,n-phenylisatin PubChem CID: 12884 IUPAC Name: 1-phenylindole-2,3-dione SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C2=O
| PubChem CID | 12884 |
|---|---|
| CAS | 723-89-7 |
| Molecular Weight (g/mol) | 223.231 |
| MDL Number | MFCD00082681 |
| SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3C(=O)C2=O |
| Synonym | 1-phenylisatin,1-phenylindoline-2,3-dione,1-phenyl-1h-indole-2,3-dione,1h-indole-2,3-dione, 1-phenyl,1-phenyl-indole-2,3-dione,indole-2,3-dione, 1-phenyl,1h-indole-2,3-dione, 1-phenyl-9ci,1-phenyl-2,3-dihydro-1h-indole-2,3-dione,phenylisatin,n-phenylisatin |
| IUPAC Name | 1-phenylindole-2,3-dione |
| InChI Key | UWCPWBIMRYXUOU-UHFFFAOYSA-N |
| Molecular Formula | C14H9NO2 |
1-Amino-4-bromoanthraquinone-2-sulfonic Acid Sodium Salt 98.0+%, TCI America™
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CAS: 6258-06-6 Molecular Formula: C14H7BrNNaO5S Molecular Weight (g/mol): 404.17 MDL Number: MFCD00019160 InChI Key: TXMRAEGWZZVGIH-UHFFFAOYSA-M Synonym: Bromaminic Acid Sodium Salt PubChem CID: 5076555 IUPAC Name: sodium;1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)[O-])Br.[Na+]
| PubChem CID | 5076555 |
|---|---|
| CAS | 6258-06-6 |
| Molecular Weight (g/mol) | 404.17 |
| MDL Number | MFCD00019160 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)N)S(=O)(=O)[O-])Br.[Na+] |
| Synonym | Bromaminic Acid Sodium Salt |
| IUPAC Name | sodium;1-amino-4-bromo-9,10-dioxoanthracene-2-sulfonate |
| InChI Key | TXMRAEGWZZVGIH-UHFFFAOYSA-M |
| Molecular Formula | C14H7BrNNaO5S |
3'-Benzyloxyacetophenone 98.0+%, TCI America™
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CAS: 34068-01-4 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00026221 InChI Key: FGQMEAWGAUALJQ-UHFFFAOYSA-N Synonym: 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene PubChem CID: 98689 IUPAC Name: 1-(3-phenylmethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2
| PubChem CID | 98689 |
|---|---|
| CAS | 34068-01-4 |
| Molecular Weight (g/mol) | 226.275 |
| MDL Number | MFCD00026221 |
| SMILES | CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2 |
| Synonym | 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene |
| IUPAC Name | 1-(3-phenylmethoxyphenyl)ethanone |
| InChI Key | FGQMEAWGAUALJQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
2-Chloro-3',4'-difluoroacetophenone 98.0+%, TCI America™
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CAS: 51336-95-9 Molecular Formula: C8H5ClF2O Molecular Weight (g/mol): 190.574 MDL Number: MFCD03966888 InChI Key: VMEDAWUIKFAFJQ-UHFFFAOYSA-N PubChem CID: 2392321 IUPAC Name: 2-chloro-1-(3,4-difluorophenyl)ethanone SMILES: C1=CC(=C(C=C1C(=O)CCl)F)F
| PubChem CID | 2392321 |
|---|---|
| CAS | 51336-95-9 |
| Molecular Weight (g/mol) | 190.574 |
| MDL Number | MFCD03966888 |
| SMILES | C1=CC(=C(C=C1C(=O)CCl)F)F |
| IUPAC Name | 2-chloro-1-(3,4-difluorophenyl)ethanone |
| InChI Key | VMEDAWUIKFAFJQ-UHFFFAOYSA-N |
| Molecular Formula | C8H5ClF2O |
Adrenalone Hydrochloride Hydrate 98.0+%, TCI America™
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CAS: 62-13-5 Molecular Formula: C9H12ClNO3 Molecular Weight (g/mol): 217.649 MDL Number: MFCD00035075 InChI Key: CSRRBDMYOUQTCO-UHFFFAOYSA-N Synonym: adrenalone hydrochloride,stryphnonasal,adrenone hydrochloride,adrenalone hcl,kephrine hydrochloride,adrenalonium chloratum,epinephrine ketone hydrochloride,3',4'-dihydroxy-2-methylamino acetophenone hydrochloride,unii-nn82ywe2ic PubChem CID: 66136 IUPAC Name: 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride SMILES: CNCC(=O)C1=CC(=C(C=C1)O)O.Cl
| PubChem CID | 66136 |
|---|---|
| CAS | 62-13-5 |
| Molecular Weight (g/mol) | 217.649 |
| MDL Number | MFCD00035075 |
| SMILES | CNCC(=O)C1=CC(=C(C=C1)O)O.Cl |
| Synonym | adrenalone hydrochloride,stryphnonasal,adrenone hydrochloride,adrenalone hcl,kephrine hydrochloride,adrenalonium chloratum,epinephrine ketone hydrochloride,3',4'-dihydroxy-2-methylamino acetophenone hydrochloride,unii-nn82ywe2ic |
| IUPAC Name | 1-(3,4-dihydroxyphenyl)-2-(methylamino)ethanone;hydrochloride |
| InChI Key | CSRRBDMYOUQTCO-UHFFFAOYSA-N |
| Molecular Formula | C9H12ClNO3 |